ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate

C16H19N3O2 — CID 71845196

IUPACethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-3-19(12-15(20)21-4-2)14-10-11-17-16(18-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyMEHZTLGHTVUXFH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate

ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate (PubChem CID 71845196) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
PubChem CID71845196
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-3-19(12-15(20)21-4-2)14-10-11-17-16(18-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyMEHZTLGHTVUXFH-UHFFFAOYSA-N
XLogP2.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
ethyl 2-[(6-carbamothioyl-2-pyridinyl)-ethylamino]acetate
CID 64588452
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl N-oxido-N-(2-pyridin-4-ylpyrimidin-4-yl)carbamate
CID 88791574
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate (CID 71845196) is ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate is CCOC(=O)CN(CC)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate?
The InChIKey is MEHZTLGHTVUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19(12-15(20)21-4-2)14-10-11-17-16(18-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate?
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate has a molecular weight of 285.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 71845196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).